6-Chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one - CAS 92926-63-1
Catalog: |
BB040720 |
Product Name: |
6-Chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one |
CAS: |
92926-63-1 |
Synonyms: |
6-chloro-2-spiro[1H-3,1-benzoxazine-4,4'-piperidine]one; 6-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one |
IUPAC Name: | 6-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one |
Description: | 6-Chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS# 92926-63-1) is a useful research chemical. |
Molecular Weight: | 252.70 |
Molecular Formula: | C12H13ClN2O2 |
Canonical SMILES: | C1CNCCC12C3=C(C=CC(=C3)Cl)NC(=O)O2 |
InChI: | InChI=1S/C12H13ClN2O2/c13-8-1-2-10-9(7-8)12(17-11(16)15-10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16) |
InChI Key: | YVMBDVRYWIKNEA-UHFFFAOYSA-N |
Boiling Point: | 360.4 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD10566065 |
LogP: | 2.94760 |
Publication Number | Title | Priority Date |
US-10428049-B2 | TRPA1 modulators | 20140106 |
US-2019016701-A1 | Trpa1 modulators | 20140106 |
US-9951046-B2 | TRPA1 modulators | 20140106 |
AU-2006334423-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
AU-2006334423-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.0665554 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.0665554 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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